General Information of the Compound
| Compound ID |
CP0488961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-hydroxypropyl)-5-[2-[2-(2,4,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N3O3
|
||||||||||||||||||
| Molecular Weight |
439.6
|
||||||||||||||||||
| Canonical SMILES |
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O3/c1-17-12-18(2)25(19(3)13-17)32-11-7-28-20(4)14-21-15-22-6-9-29(8-5-10-30)24(22)23(16-21)26(27)31/h12-13,15-16,20,28,30H,5-11,14H2,1-4H3,(H2,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEJDAWYRSPAFCX-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor